6P0K

Crystal structure of GDP-bound human RalA in a covalent complex with aryl sulfonyl fluoride compounds.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2019-03-22
Detector	RDI CMOS_8M
Wavelength(s)	0.97625
Spacegroup name	C 2 2 21
Unit cell lengths	65.281, 104.924, 55.409
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.190 - 1.490
R-factor	0.1318
Rwork	0.130
R-free	0.16410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1u8z
RMSD bond length	0.009
RMSD bond angle	1.038
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.15_3459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.190	1.540
High resolution limit [Å]	1.490	1.490
Rmeas	0.088	1.602
Rpim	0.033	0.593
Number of reflections	31546	2688
<I/σ(I)>	16.3	1.5
Completeness [%]	100.0	100
Redundancy	7.2	7.1
CC(1/2)	0.728	0.728

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	0.2 M Calcium Acetate pH 5.5 18-22% PEG3350